N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)-2-oxidanylidene-ethanimidate

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)-2-oxidanylidene-ethanimidate Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-oxo-2-(p-tolyl)ethanimidate CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)-2-oxoethanimidate IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)-2-oxoethanimidate Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-keto-2-(p-tolyl)acetimidate Formula: C21H22N3O2S- MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(=NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(=NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4)[O-]

InChI

InChI=1S/C21H23N3O2S/c1-12-2-4-16(5-3-12)17(25)18(26)22-20-24-23-19(27-20)21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,13-15H,6-11H2,1H3,(H,22,24,26)/p-1